1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea

C15H18N2O — CID 4610236

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
SMILESO=C(NCC1CC2C=CC1C2)Nc1ccccc1
InChIInChI=1S/C15H18N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H2,16,17,18)
InChIKeyFMMGLEFCJGVHDC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea (PubChem CID 4610236) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
PubChem CID4610236
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
SMILESO=C(NCC1CC2C=CC1C2)Nc1ccccc1
InChIInChI=1S/C15H18N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H2,16,17,18)
InChIKeyFMMGLEFCJGVHDC-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
CID 134224964
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
CID 51972824
1-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[6-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]hexyl]urea
CID 11835105
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(2-fluoro-4-methoxyphenyl)urea
CID 118767553
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
methyl 3-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]-4-methoxybenzoate
CID 118785133
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylbenzamide
CID 98819419
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea (CID 4610236) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea is O=C(NCC1CC2C=CC1C2)Nc1ccccc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea?
The InChIKey is FMMGLEFCJGVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H2,16,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea has a molecular weight of 242.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea is sourced from PubChem (CID 4610236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).